85 citations · 394 across the 12 of their papers we have counts for
4 papers · 1 filter
Quantum-Classical Computational Molecular Design of Deuterated High-Efficiency OLED Emitters
Qi Gao, Gavin O. Jones, Michihiko Sugawara +5
This study describes a hybrid quantum-classical computational approach for designing synthesizable deuterated emitters possessing desirable emission quantum efficiencies (Q…
Excited state calculations using variational quantum eigensolver with spin-restricted ansätze and automatically-adjusted constraints
Shigeki Gocho, Hajime Nakamura, Shu Kanno +4
The ground and excited state calculations at key geometries, such as the Frank-Condon (FC) and the conical intersection (CI) geometries, are essential for understanding photophysic…
Analytical energy gradient for state-averaged orbital-optimized variational quantum eigensolvers and its application to a photochemical reaction
Keita Omiya, Yuya O. Nakagawa, Sho Koh +3
Elucidating photochemical reactions is vital to understand various biochemical phenomena and develop functional materials such as artificial photosynthesis and organic solar cells,…
Natural quantum reservoir computing for temporal information processing
Yudai Suzuki, Qi Gao, Ken C. Pradel +2
Reservoir computing is a temporal information processing system that exploits artificial or physical dissipative dynamics to learn a dynamical system and generate the target time-s…